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Home > Other Heterocycles > 1557247-28-5
1557247-28-5 | 2-thiaspiro[3.5]nonan-7-one
CAS No: 1557247-28-5 Catalog No: AG01C73L MDL No:MFCD30002863
Product Description
Catalog Number:
AG01C73L
Chemical Name:
2-thiaspiro[3.5]nonan-7-one
CAS Number:
1557247-28-5
Molecular Formula:
C8H12OS
Molecular Weight:
156.2453
MDL Number:
MFCD30002863
IUPAC Name:
2-thiaspiro[3.5]nonan-7-one
InChI:
InChI=1S/C8H12OS/c9-7-1-3-8(4-2-7)5-10-6-8/h1-6H2
InChI Key:
CVEPOMCOBKPWOE-UHFFFAOYSA-N
SMILES:
O=C1CCC2(CC1)CSC2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.243g/mol
Monoisotopic Mass:
156.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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